4BUG
Pilus-presented adhesin, Spy0125 (Cpa), Cys426Ala mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-02 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.960, 116.860, 176.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.610 - 2.800 |
| R-factor | 0.21389 |
| Rwork | 0.211 |
| R-free | 0.26815 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xic |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.326 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.510 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.110 | 0.500 |
| Number of reflections | 24374 | |
| <I/σ(I)> | 13 | 4.3 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 7.8 | 8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 38 - 40 % PEG 4000, 200 MM SODIUM ACETATE AND 100 MM TRI - SODIUM CITRATE PH 5.6 REMARK 280 MM MES PH 6.0 - 6.5 |
